Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Sep-2023/P_radicals/PPh3/PPh4-rad PPh4-radNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-1266.09022486; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/PPh3/PPh4-cat PPh4-catNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15LDEF2SVP-1265.95346588; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/Benzene+Me-rad_product benzene_Me-rad_productNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-271.598100734; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/mXylene mXyleneNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15LDEF2SVP-310.307598694; Eh
thumbnail.jpeg2-Sep-2023/P_radicals/PPh3/PPh3 PPh3Nelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRMN15LDEF2SVP-1034.90019720; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/2iodomxylene+Me_rad_prod_5pos 2iodomxylene+Me_rad_prod_5posNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-646.193240369; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/2iodomxylene+Me_rad_prod_4pos 2iodomxylene+Me_rad_prod_4posNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-646.194303980; Eh
thumbnail.jpeg2-Sep-2023/common/phenyl_radical phenyl_radicalNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-231.147647037; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/2iodomxylene+Me_rad_prod_2pos 2iodomxylene+Me_rad_prod_2posNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-646.247742368; Eh
thumbnail.jpeg2-Sep-2023/Me_radical_addn/2iodomxylene_Iabs_prod 2iodomxylene_Iabs_prodNelson, DavidGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUMN15LDEF2SVP-646.163594388; Eh
Results 1-10 of 29 (Search time: 0.001 seconds).

Discover